⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL752377 | 0.96 | — | — | |
| SCHEMBL30855464 | 0.96 | — | — | |
| SCHEMBL30855463 | 0.96 | — | — | |
| SCHEMBL27579 | 0.96 | — | — | |
| SCHEMBL752733 | 0.96 | — | — | |
| SCHEMBL20489251 | 0.96 | TP53 (0.53) | — | |
| Water SCHEMBL4557071 | 0.92 | — | — | |
| SCHEMBL28601533 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL3896169 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL11103337 | 0.92 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114601063-A | Lactose-free high-calcium pet milk and preparation method thereof | 内蒙古伊利实业集团股份有限公司 | 2022-06-10 | — | — | CN | disclosed |